SCHEMBL4039133

SCHEMBL4039133

CC(C)(C)c1ccc(C(=O)NC(Cc2cccs2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccc[n+]2[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.51
CTSS P25774 3/20 0.40
USP30 Q70CQ3 4/20 0.37
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4045112 0.90 CTSK (0.40) CTSKCTSSUSP30CTSVCTSL
SCHEMBL4039467 0.90 CTSK (0.41) CTSKCTSSUSP30CTSVCTSL
SCHEMBL4041764 0.89 CTSK (0.51) CTSKCTSSUSP30CTSVCTSL
SCHEMBL4046758 0.89 CTSK (0.65) CTSKCTSSCTSVCTSL
SCHEMBL4040036 0.88 CTSK (0.54) CTSKCTSSUSP30CTSVCTSL
SCHEMBL4048667 0.88 CTSK (0.54) CTSKCTSSCTSVCTSL
SCHEMBL4040998 0.88 CTSK (0.52) CTSKCTSSMEN1KMT2AMAPT
SCHEMBL4045568 0.87 CTSK (0.52) CTSKCTSSUSP30MEN1KMT2A
SCHEMBL4039714 0.86 CTSK (0.51) CTSKCTSSUSP30MEN1KMT2A
SCHEMBL4047934 0.86 CTSK (0.51) CTSKCTSSCTSLMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885USP30 2688/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.